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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2023 | Holo2transB_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.96982800895998; Eh | ||||
1-Feb-2023 | Holo2transB_9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.01667140288; Eh | ||||
1-Feb-2023 | Holo2transB_8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -170.0020743456; Eh | ||||
1-Feb-2023 | Holo2cis_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21518691903998; Eh | ||||
1-Feb-2023 | Holo2cis_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20953218879998; Eh | ||||
1-Feb-2023 | Holo2transB_4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97715091967999; Eh | ||||
1-Feb-2023 | Holo2transB_5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.98586998336; Eh | ||||
1-Feb-2023 | Holo2transB_6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.97518250496; Eh | ||||
1-Feb-2023 | Holo2transB_3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -169.997475216; Eh | ||||
1-Feb-2023 | Holo1_7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.14855101311997; Eh |
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- 60 Amber